Bi3O4F

Bi3O4F is a metastable semiconducting bismuth oxyfluoride compound utilized in materials research for its unique electronic and structural characteristics.

BiFO
Crystal structure of Bi3O4F
Ground-state structure · Materials Project
Overview

About Bi3O4F

Bi3O4F is a complex bismuth oxyfluoride that exhibits semiconducting electronic behavior. As a metastable phase, it represents a unique structural arrangement within the bismuth-oxygen-fluorine system, characterized by a significant degree of structural variety across multiple databases. Its specific electronic properties make it an intriguing subject for research into functional inorganic materials. The compound is primarily studied for its potential in specialized electronic or optoelectronic applications where its distinct semiconducting nature can be leveraged. Its metastability suggests that synthesis conditions are critical for stabilizing the desired phase, positioning it as a material of interest for fundamental studies in solid-state chemistry and materials design.

At a glance

Key Properties

Cross-validated computational properties for Bi3O4F, aggregated across 3 databases.

Band Gap

2.12–2.31 eV
Range across DFT structures

Energy Above Hull

0.026 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

20
3 databases, 5 space groups
Uses

Applications

Where Bi3O4F is used.

Semiconductor researchMaterials science studiesSolid-state chemistry investigations
Reference

Frequently Asked Questions

Common questions about Bi3O4F, answered from cross-validated data.

What is Bi3O4F?

Bi3O4F is a metastable semiconducting bismuth oxyfluoride compound utilized in materials research for its unique electronic and structural characteristics.

More questions
What is Bi3O4F used for?
Bi3O4F is used in semiconductor research, materials science studies, and solid-state chemistry investigations.
What is the band gap of Bi3O4F?
Bi3O4F has a DFT-computed band gap of 2.12–2.31 eV across 20 reported structures.
Is Bi3O4F a metal, semiconductor, or insulator?
With a band gap up to 2.31 eV it is a semiconductor.
Is Bi3O4F thermodynamically stable?
Bi3O4F has a lowest energy above hull of 0.026 eV/atom (metastable).
How many polymorphs of Bi3O4F are known?
20 structures of Bi3O4F are reported across 3 databases, spanning 5 distinct space groups.
What elements does Bi3O4F contain?
Bi3O4F contains Bi, F, and O (3 elements).
Where does the data for Bi3O4F come from?
Bi3O4F data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct member of the bismuth oxyfluoride family, Bi3O4F occupies a unique niche due to its metastable nature and specific electronic profile. While the broader class of bismuth-based oxyhalides is often explored for photocatalytic or dielectric properties, this compound stands out for its structural complexity, which is highlighted by the numerous reported configurations found in research databases.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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